phosphono 2-methyl-3-prop-2-enoyloxypropanoate

C7H11O7P — CID 174544812

IUPACphosphono 2-methyl-3-prop-2-enoyloxypropanoate
SMILESC=CC(=O)OCC(C)C(=O)OP(=O)(O)O
InChIInChI=1S/C7H11O7P/c1-3-6(8)13-4-5(2)7(9)14-15(10,11)12/h3,5H,1,4H2,2H3,(H2,10,11,12)
InChIKeyOXDYETHJTKWGBF-UHFFFAOYSA-N
MW238.13 g/mol
LogP-0.01
Rot. Bonds5

About phosphono 2-methyl-3-prop-2-enoyloxypropanoate

phosphono 2-methyl-3-prop-2-enoyloxypropanoate (PubChem CID 174544812) has the molecular formula C7H11O7P and a molecular weight of 238.13 g/mol. Its IUPAC name is phosphono 2-methyl-3-prop-2-enoyloxypropanoate.

Molecular Properties

Compound Namephosphono 2-methyl-3-prop-2-enoyloxypropanoate
PubChem CID174544812
Molecular FormulaC7H11O7P
Molecular Weight238.13 g/mol
Exact Mass238.02
IUPAC Namephosphono 2-methyl-3-prop-2-enoyloxypropanoate
SMILESC=CC(=O)OCC(C)C(=O)OP(=O)(O)O
InChIInChI=1S/C7H11O7P/c1-3-6(8)13-4-5(2)7(9)14-15(10,11)12/h3,5H,1,4H2,2H3,(H2,10,11,12)
InChIKeyOXDYETHJTKWGBF-UHFFFAOYSA-N
XLogP-0.01
TPSA110.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.13
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-hydroxypropyl prop-2-enoate;phosphono prop-2-enoate
CID 174553510
2-hydroxypropyl 2-methyl-3-prop-2-enoyloxypropanoate
CID 151533065
methane;2-prop-2-enoyloxypropyl prop-2-enoate
CID 161351901
1,1,1,3,3,3-hexafluoropropan-2-yl 2-methyl-3-prop-2-enoyloxypropanoate
CID 170086005
(2-chloro-3-phosphonooxypropyl) prop-2-enoate
CID 150375060
[2-methyl-3-(2-methyl-3-prop-2-enoyloxypropoxy)carbonyloxypropyl] prop-2-enoate
CID 139835678
[3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] 2-methylbutanoate
CID 58805573
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate
CID 139889526
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate
CID 121420632
3-methyl-2-methylidenepentanoic acid;2-methylpropyl prop-2-enoate
CID 161178594
2-chloropropyl prop-2-enoate;prop-2-enoic acid
CID 175785601
2,4-dimethylpent-3-enyl prop-2-enoate
CID 174401913

Frequently Asked Questions

What is the IUPAC name of phosphono 2-methyl-3-prop-2-enoyloxypropanoate?
The IUPAC name of phosphono 2-methyl-3-prop-2-enoyloxypropanoate (CID 174544812) is phosphono 2-methyl-3-prop-2-enoyloxypropanoate.
What is the SMILES notation for phosphono 2-methyl-3-prop-2-enoyloxypropanoate?
The canonical SMILES for phosphono 2-methyl-3-prop-2-enoyloxypropanoate is C=CC(=O)OCC(C)C(=O)OP(=O)(O)O.
What is the InChIKey of phosphono 2-methyl-3-prop-2-enoyloxypropanoate?
The InChIKey is OXDYETHJTKWGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11O7P/c1-3-6(8)13-4-5(2)7(9)14-15(10,11)12/h3,5H,1,4H2,2H3,(H2,10,11,12).
What are the key properties of phosphono 2-methyl-3-prop-2-enoyloxypropanoate?
phosphono 2-methyl-3-prop-2-enoyloxypropanoate has a molecular weight of 238.13 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phosphono 2-methyl-3-prop-2-enoyloxypropanoate is sourced from PubChem (CID 174544812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).